I am trying to generate the .pp and .cube file using pp.x -i (input file name) command. But, the .cube file is not getting generated and the output.log file also shows an error message. this is my pp.x input file: &INPUTPP prefix='cspbi3' outdir='relax-bulk' filplot='CsPbI3_pristine.pp' plot_num=11 / &PLOT nfile=1 filepp(1)='CsPbI3_pristine.pp' iflag=3 output_format=6 filout='pristine_cspbi3.cube' /
this is the error message which i get when i run the pp.x command:
Calling punch_plot, plot_num = 11
Writing data to file CsPbI3_pristine.pp
Message from routine chdens:
namelist plot not found or invalid, exiting
Please help me someone. Its urgent. 